(1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]ethanamine

C18H22N2 — CID 79009222

IUPAC(1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccccc1N1CCCCc2ccccc21
InChIInChI=1S/C18H22N2/c1-14(19)16-10-3-5-12-18(16)20-13-7-6-9-15-8-2-4-11-17(15)20/h2-5,8,10-12,14H,6-7,9,13,19H2,1H3/t14-/m1/s1
InChIKeyFNTBROSVQZKUTC-CQSZACIVSA-N
MW266.39 g/mol
LogP4.18
Rot. Bonds2

About (1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]ethanamine

(1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]ethanamine (PubChem CID 79009222) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]ethanamine
PubChem CID79009222
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name(1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccccc1N1CCCCc2ccccc21
InChIInChI=1S/C18H22N2/c1-14(19)16-10-3-5-12-18(16)20-13-7-6-9-15-8-2-4-11-17(15)20/h2-5,8,10-12,14H,6-7,9,13,19H2,1H3/t14-/m1/s1
InChIKeyFNTBROSVQZKUTC-CQSZACIVSA-N
XLogP4.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol
CID 55182824
1-[2-(azepan-1-yl)phenyl]ethanamine
CID 10680362
(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine
CID 28801549
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-fluorophenyl]ethanamine
CID 43188883
(1R)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanamine
CID 124502673
(1S)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanamine
CID 124502674
(1S)-1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 63533302
2-propan-2-yl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine
CID 80959581
4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,5-triazin-2-amine
CID 112746241
2-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]phenol
CID 82980720
(1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
CID 104921308
(2S)-2-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propan-1-one;hydrochloride
CID 119294288

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]ethanamine (CID 79009222) is (1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]ethanamine is C[C@@H](N)c1ccccc1N1CCCCc2ccccc21.
What is the InChIKey of (1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]ethanamine?
The InChIKey is FNTBROSVQZKUTC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2/c1-14(19)16-10-3-5-12-18(16)20-13-7-6-9-15-8-2-4-11-17(15)20/h2-5,8,10-12,14H,6-7,9,13,19H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]ethanamine?
(1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]ethanamine has a molecular weight of 266.39 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 79009222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).